Home Other Building Blocks (3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

CAS No.:
110167-66-3
Catalog Number:
AG008SLW
Molecular Formula:
C8H7N3O3S
Molecular Weight:
225.2245
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$116
- +
500mg
In Stock USA
United States
$207
- +
1g
In Stock USA
United States
$373
- +
2.5g
In Stock USA
United States
$811
- +
5g
In Stock USA
United States
$1491
- +
Product Description
Catalog Number:
AG008SLW
Chemical Name:
(3-Furan-2-yl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid
CAS Number:
110167-66-3
Molecular Formula:
C8H7N3O3S
Molecular Weight:
225.2245
MDL Number:
MFCD08437536
IUPAC Name:
2-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetic acid
InChI:
InChI=1S/C8H7N3O3S/c12-6(13)4-11-7(9-10-8(11)15)5-2-1-3-14-5/h1-3H,4H2,(H,10,15)(H,12,13)
InChI Key:
CCEBIFFCYWPJFW-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c(=S)[nH]nc1c1ccco1
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.021g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
225.222g/mol
Monoisotopic Mass:
225.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties